1-(4-methoxy-2-nitro-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(4-methoxy-2-nitro-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-methoxy-2-nitro-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-methoxy-2-nitrophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-methoxy-2-nitrophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(4-methoxy-2-nitro-phenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea Formula: C11H8F3N5O4S MolecularWeight: 363.27253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)NC2=NN=C(S2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)NC2=NN=C(S2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H8F3N5O4S/c1-23-5-2-3-6(7(4-5)19(21)22)15-9(20)16-10-18-17-8(24-10)11(12,13)14/h2-4H,1H3,(H2,15,16,18,20)